[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CC(C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C[C@H](C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H24N6O3/c1-14-8-10-17(11-9-14)25-22-27-19(26-21(23)28-22)13-31-20(30)12-18(24-15(2)29)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)/t18-/m1/s1